N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide

C18H29N3O — CID 108988458

IUPACN-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C)CC1
InChIInChI=1S/C18H29N3O/c1-13(2)15-7-6-8-16(14(3)4)17(15)19-18(22)21-11-9-20(5)10-12-21/h6-8,13-14H,9-12H2,1-5H3,(H,19,22)
InChIKeyIDDBJESRXDDTPL-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.71
Rot. Bonds3

About N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide (PubChem CID 108988458) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide
PubChem CID108988458
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C)CC1
InChIInChI=1S/C18H29N3O/c1-13(2)15-7-6-8-16(14(3)4)17(15)19-18(22)21-11-9-20(5)10-12-21/h6-8,13-14H,9-12H2,1-5H3,(H,19,22)
InChIKeyIDDBJESRXDDTPL-UHFFFAOYSA-N
XLogP3.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103376
N-[2,6-di(propan-2-yl)phenyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105012
N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
CID 108988464
4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide
CID 23821172
N-[2,6-di(propan-2-yl)phenyl]-4-methyl-1,4-diazepane-1-carbothioamide
CID 71940901
N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105948
4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113104956
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 108896475
N-(2-methyl-6-propan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159393230
4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112569
1-N,4-N-bis[2,6-di(propan-2-yl)phenyl]-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 139083857

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide (CID 108988458) is N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C)CC1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is IDDBJESRXDDTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-13(2)15-7-6-8-16(14(3)4)17(15)19-18(22)21-11-9-20(5)10-12-21/h6-8,13-14H,9-12H2,1-5H3,(H,19,22).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 108988458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).